SCHEMBL5604541

SCHEMBL5604541

COc1cc(C=O)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.49
MAPT P10636 4/20 0.47
MAPK1 P28482 4/20 0.47
LMNA P02545 2/20 0.47
VEGFA P15692 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
FAAH O00519 1/20 0.45
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABCB1 P08183 2/20 0.41
FGFR1 P11362 1/20 0.41
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
ADAM17 P78536 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5613222 0.88 ALOX5 (0.52) GAAMAPTMAPK1LMNAVEGFA
SCHEMBL5613221 0.88 ALOX5 (0.52) GAAMAPTMAPK1LMNAVEGFA
SCHEMBL3100738 0.81 GAA (0.56) GAAMAPTMAPK1LMNATSHR
SCHEMBL18021941 0.81 VEGFA (0.48) MAPTVEGFAEGLN1FAAHTSHR
SCHEMBL3101191 0.80 GAA (0.57) GAAMAPTMAPK1LMNATSHR
SCHEMBL9251960 0.79 GAA (0.50) GAAMAPTMAPK1LMNAFAAH
SCHEMBL3103923 0.78 GAA (0.53) GAAMAPTMAPK1LMNASMN1; SMN2
SCHEMBL30809948 0.78 VEGFA (0.48) MAPTVEGFAEGLN1FGFR1KMT2A
SCHEMBL24099834 0.77 VEGFA (0.49) GAAVEGFAEGLN1SMN1; SMN2KMT2A
SCHEMBL3097222 0.77 KDM4E (0.56) GAAMAPTMAPK1LMNAFAAH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007051314-A1 CURCUMINOID COMPOUNDS FOR INHIBITING PLASMINOGEN ACTIVATOR INHIBITOR-1 AMERICAN DIAGNOSTICA INC. (US) 2007-05-10 WO disclosed